Geometry & MOs

Info

ID:

447933

PubChem CID:

135286934

Reduced:

FO2N7H26C29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

477.173565

ΔHf, kcal/mol:

86.88

Dipole, Da:

6.2

IP(EA), eV:

 -8.85(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-[5-(pyrrolidin-1-ylmethyl)pyridin-3-yl]-3-(4-thiophen-3-ylpyrrolo[2,3-c]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC(=C6)F)OC)/NN3

DOS

IR

Vibrations